ethyl 4-[3-(cyclopropylamino)-3-oxopropanoyl]piperazine-1-carboxylate

C13H21N3O4 — CID 108941022

IUPACethyl 4-[3-(cyclopropylamino)-3-oxopropanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CC(=O)NC2CC2)CC1
InChIInChI=1S/C13H21N3O4/c1-2-20-13(19)16-7-5-15(6-8-16)12(18)9-11(17)14-10-3-4-10/h10H,2-9H2,1H3,(H,14,17)
InChIKeySXFWFQQLPLMVPB-UHFFFAOYSA-N
MW283.33 g/mol
LogP-0.04
Rot. Bonds4

About ethyl 4-[3-(cyclopropylamino)-3-oxopropanoyl]piperazine-1-carboxylate

ethyl 4-[3-(cyclopropylamino)-3-oxopropanoyl]piperazine-1-carboxylate (PubChem CID 108941022) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is ethyl 4-[3-(cyclopropylamino)-3-oxopropanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(cyclopropylamino)-3-oxopropanoyl]piperazine-1-carboxylate
PubChem CID108941022
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Nameethyl 4-[3-(cyclopropylamino)-3-oxopropanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CC(=O)NC2CC2)CC1
InChIInChI=1S/C13H21N3O4/c1-2-20-13(19)16-7-5-15(6-8-16)12(18)9-11(17)14-10-3-4-10/h10H,2-9H2,1H3,(H,14,17)
InChIKeySXFWFQQLPLMVPB-UHFFFAOYSA-N
XLogP-0.04
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[[3-(4-ethylpiperazin-1-yl)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108944536
ethyl 4-[[3-(4-methylpiperidin-1-yl)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108942733
ethyl 4-[(3-oxo-3-piperidin-1-ylpropanoyl)amino]piperidine-1-carboxylate
CID 108942361
ethyl 4-[2-(cyclopropylcarbamoylamino)acetyl]piperazine-1-carboxylate
CID 110305640
ethyl 4-[3-(cyclopropylamino)-3-oxopropyl]piperazine-1-carboxylate
CID 51077572
ethyl 4-[acetyl-[2-(cyclopropylamino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 113165659
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873
ethyl 4-(3-methoxy-3-oxopropanoyl)piperazine-1-carboxylate
CID 94692085
ethyl 4-[[(3Z)-3-amino-3-hydroxyiminopropanoyl]amino]piperidine-1-carboxylate
CID 43333243
ethyl 4-[3-oxo-3-(propan-2-ylamino)propanoyl]piperazine-1-carboxylate
CID 108940832
3-(4-acetylpiperazin-1-yl)-N-cycloheptyl-3-oxopropanamide
CID 108944903
ethyl 4-(3,3-dimethylbutanoylamino)piperidine-1-carboxylate
CID 110756025

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(cyclopropylamino)-3-oxopropanoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(cyclopropylamino)-3-oxopropanoyl]piperazine-1-carboxylate (CID 108941022) is ethyl 4-[3-(cyclopropylamino)-3-oxopropanoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(cyclopropylamino)-3-oxopropanoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(cyclopropylamino)-3-oxopropanoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CC(=O)NC2CC2)CC1.
What is the InChIKey of ethyl 4-[3-(cyclopropylamino)-3-oxopropanoyl]piperazine-1-carboxylate?
The InChIKey is SXFWFQQLPLMVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-2-20-13(19)16-7-5-15(6-8-16)12(18)9-11(17)14-10-3-4-10/h10H,2-9H2,1H3,(H,14,17).
What are the key properties of ethyl 4-[3-(cyclopropylamino)-3-oxopropanoyl]piperazine-1-carboxylate?
ethyl 4-[3-(cyclopropylamino)-3-oxopropanoyl]piperazine-1-carboxylate has a molecular weight of 283.33 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(cyclopropylamino)-3-oxopropanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 108941022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).